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CXBGOBGJHGGWIE-UHFFFAOYSA-N

View entire compound with spectra: 8 NMR, and 4 MS (GC)

CXBGOBGJHGGWIE-UHFFFAOYSA-N
SpectraBase Compound ID 8xoUEeP0SAy
InChI InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3
InChIKey CXBGOBGJHGGWIE-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C25H32N2O6
Exact Mass 456.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GG34HIkzLE6
Name Vindoline
Alternate Name(s) (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methylaspidospermidine-3-carboxylic acid Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)- Methyl 4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate Vindolin EINECS 218-558-0 NSC 628056 NSC 91994
CAS Registry Number 2182-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O6
InChI InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3
InChIKey CXBGOBGJHGGWIE-UHFFFAOYSA-N
Molecular Weight 456.539 g/mol
SMILES OC1(C2C3(C4C(CC)(C1OC(C)=O)C=CCN4CC3)c1c(N2C)cc(cc1)OC)C(OC)=O
SPLASH splash10-000i-0920000000-377d336f9cdba0cf87bc
Source of Spectrum HY-1982-0-0
Wiley ID 1389290